UCSF

ZINC32593287

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 8.32 -14.65 1 4 0 51 361.228 4
Lo Low (pH 4.5-6) 4.83 7.32 -31.08 2 4 1 56 362.236 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )